Vitas-M small molecule compound
propan-2-yl 5-(dimethylcarbamoyl)-2-{[(3,5-dinitrophenyl)carbonyl]amino}-4-methylthiophene-3-carboxylate
Catalog ID
STK451954
SMILES CC(OC(=O)c1c(NC(=O)c2cc(cc(c2)[N+](=O)[O-])[N+](=O)[O-])sc(c1C)C(=O)N(C)C)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C19H20N4O8S MW 464.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20N4O8S/c1-9(2)31-19(26)14-10(3)15(18(25)21(4)5)32-17(14)20-16(24)11-6-12(22(27)28)8-13(7-11)23(29)30/h6-9H,1-5H3,(H,20,24)InChIKey
WZEDQFNJWSNKKD-UHFFFAOYSA-NSynonyms
CC(OC(=O)c1c(NC(=O)c2cc(cc(c2)(N+)(=O)(O))(N+)(=O)(O))sc(c1C)C(=O)N(C)C)C
CC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C2=CC(=CC(=C2)(N+)(=O)(O))(N+)(=O)(O))C(=O)N(C)C
InChI=1SC19H20N4O8Sc19(2)3119(26)1410(3)15(18(25)21(4)5)3217(14)2016(24)11612(22(27)28)813(711)23(29)30h69H15H3(H2024)
ISOPROPYL2((35BISNITROBENZOYL)AMINO)5((DIMETHYLAMINO)CARBONYL)4METHYLTHIOPHENE3CARBOXYLATE
METHYLETHYL5(NNDIMETHYLCARBAMOYL)2((35DINITROPHENYL)CARBONYLAMINO)4METHYLTHIOPHENE3CARBOXYLATE
MFCD02607948
propan2yl5(dimethylcarbamoyl)2(((35dinitrophenyl)carbonyl)amino)4methylthiophene3carboxylate
PROPAN2YL5(DIMETHYLCARBAMOYL)2((35DINITROBENZOYL)AMINO)4METHYLTHIOPHENE3CARBOXYLATE
ZINC000002102416
ZINC02102416
ZINC2102416
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.